2-(4,4-dimethylpiperidin-1-yl)-3-methyl-N-propan-2-ylbutan-1-amine

C15H32N2 — CID 55155561

IUPAC2-(4,4-dimethylpiperidin-1-yl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C(C)C)N1CCC(C)(C)CC1
InChIInChI=1S/C15H32N2/c1-12(2)14(11-16-13(3)4)17-9-7-15(5,6)8-10-17/h12-14,16H,7-11H2,1-6H3
InChIKeySWLLGJXMRHVUSD-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds5

About 2-(4,4-dimethylpiperidin-1-yl)-3-methyl-N-propan-2-ylbutan-1-amine

2-(4,4-dimethylpiperidin-1-yl)-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 55155561) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidin-1-yl)-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidin-1-yl)-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID55155561
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2-(4,4-dimethylpiperidin-1-yl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C(C)C)N1CCC(C)(C)CC1
InChIInChI=1S/C15H32N2/c1-12(2)14(11-16-13(3)4)17-9-7-15(5,6)8-10-17/h12-14,16H,7-11H2,1-6H3
InChIKeySWLLGJXMRHVUSD-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-3-methyl-N-propan-2-ylbutan-1-amine (CID 55155561) is 2-(4,4-dimethylpiperidin-1-yl)-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-(4,4-dimethylpiperidin-1-yl)-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-(4,4-dimethylpiperidin-1-yl)-3-methyl-N-propan-2-ylbutan-1-amine is CC(C)NCC(C(C)C)N1CCC(C)(C)CC1.
What is the InChIKey of 2-(4,4-dimethylpiperidin-1-yl)-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is SWLLGJXMRHVUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-12(2)14(11-16-13(3)4)17-9-7-15(5,6)8-10-17/h12-14,16H,7-11H2,1-6H3.
What are the key properties of 2-(4,4-dimethylpiperidin-1-yl)-3-methyl-N-propan-2-ylbutan-1-amine?
2-(4,4-dimethylpiperidin-1-yl)-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperidin-1-yl)-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 55155561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).